SCHEMBL30323172

SCHEMBL30323172

COc1ccc(C(=O)C2CCNCC2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 13/20 0.68
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR4 Q13639 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20524600 1.00 CPS1 (0.68) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
Hydrochloric Acid SCHEMBL30323144 0.99 CPS1 (0.67) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL30513999 0.91 CPS1 (0.75) CPS1HSD11B1
SCHEMBL30514010 0.87 CPS1 (0.70) CPS1MEN1KMT2A
SCHEMBL1942608 0.87 CPS1 (0.70) CPS1MEN1KMT2A
SCHEMBL10637499 0.84 NPC1 (0.57) CPS1ALDH1A1SMN1; SMN2EPHX2MEN1
SCHEMBL6987660 0.84 KDM2B (0.58) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
Hydrochloric Acid SCHEMBL10640839 0.83 NPC1 (0.55) CPS1ALDH1A1SMN1; SMN2EPHX2MEN1
Hydrochloric Acid SCHEMBL11619068 0.83 KDM2B (0.57) CPS1ALDH1A1SMN1; SMN2EPHX2HSD11B1
SCHEMBL10963872 0.81 CPS1 (0.81) CPS1ALDH1A1SMN1; SMN2HSD11B1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed